Martyn Winn

Research Interests

See my CSED home page, my Curriculum Vitae, and my publication list.

• I lead the CSED Computational Biology team. Our primary interest is in classical molecular dynamics simulations of proteins, in particular addressing very large systems.
• I also lead the core team of computational scientists working for the CCP4 project at the Daresbury and Rutherford Appleton Laboratories. We manage and distribute a large software suite for protein structure solution via protein crystallography. See the extensive CCP4 web pages for more information.
• I have research interests in the area of protein dynamics, particularly with respect to the interpretation of X-ray diffraction data. See separate pages.
• I also oversee the CSED Chemical Database Service.
• There is a short summary of some of my earlier research interests.

Publication highlights

See the full list.

• Johannes Kaestner, Hannes H Loeffler, Selene K Roberts, Marisa L Martin-Fernandez and Martyn D Winn J. Struct. Biol., 167 117-128 (2009)
  - "Ectodomain orientation, conformational plasticity and oligomerization of ErbB1 receptors investigated by molecular dynamics"
• M.Vollmar, D. Schlieper, M. Winn, C. Buechner and G.Groth, J. Biol. Chem., 284, 18228-18235 (2009)
  - "Structure of the C14-rotor ring of the proton translocating chloroplast ATP synthase"
• D.J Rigden, R.M Keegan and M.D Winn Acta Cryst. D64 1288-1291 (2008)
  - "Molecular Replacement using ab initio polyalanine models generated with ROSETTA"
     reprint in PDF format Copyright © International Union of Crystallography
• Stephen E.D. Webb, Selene K. Roberts, Sarah R. Needham, Christopher J. Tynan, Daniel J. Rolfe, Martyn D. Winn, David T. Clarke, Roger Barraclough, and Marisa L. Martin-Fernandez Biophys. J. 94, 803-819 (2008)
  - "Single molecule imaging and FLIM show different structures for high and low-affinity EGFRs in A431 cells"
• R.M.Keegan and M.D.Winn, Acta Cryst. D63, 447 - 457 (2007)
  - "Automated search-model discovery and preparation for structure solution by molecular replacement"
• M.D.Winn, J. Synchrotron Rad. 10, 23---25 (2003)
  - "An overview of the CCP4 project in Protein Crystallography: an example of a collaborative project"
• M.D.Winn, M.N.Isupov and G.N.Murshudov, Acta Cryst. D57, 122 - 133 (2001).
  - "Use of TLS parameters to model anisotropic displacements in macromolecular refinement"

Grants held

• Towards a Collaborative Computational Project for Electron cryo-Microscopy (CCPEM) and bridging the gaps between structure determination methods, MRC, MR/J000825/1, 2012-2015
• BioMedBridges: Building data bridges and services between biological and medical infrastructures in Europe, EU INFRA-2011-2.3.2, 2012-2016
• Ab initio protein modelling for automated X-ray crystal structure solution, BBSRC, 2010-2012
• Supra-molecular rules in signalling networks: A single molecule comparative study in cells and tissues, BBSRC, 2009-2014
• CCP4: Low resolution complexes, handling of difficult data; empowering structural biologists and supporting UK structural biology, BBSRC, 2008-2013
• MAX-INF2: European Macromolecular Crystallography Infrastructure Network 2, EU FP6, 2004-2009
• TEMBLOR: The European Molecular Biology Linked Original Resources, EU, 01/01/02-31/12/04
• AUTOSTRUCT: Determination of Macromolecular Crystal Structures: Integrated, Automated and User-Friendly Approaches, EU, 01/10/00-30/09/03

Biographical Information

I was born in York in 1966, and was brought up there. I read Natural Sciences at Cambridge, followed by a D.Phil. in theoretical chemistry from Oxford, completed in 1990. During the next year, I held a postdoctoral position at Oxford funded by BP's Venture Research, looking at electronic structure and conduction in disordered materials. From 1991 to 1993, I continued this work as a research fellow of the Royal Commission for the Exhibition of 1851. From 1993 to 1995, I was a Lise Meitner research fellow in the Institute for Theoretical Physics at the Technical University of Vienna, looking at theory and simulations of hydrogenated diamond surfaces.

From 1995, I have worked on the CCP4 project in protein crystallography at the Daresbury Laboratory in Cheshire, UK, and from 2001 to 2009 I was the leader of the core group of the CCP4 project. Major projects within CCP4 included development of TLS refinement, a major re-write of the core software libraries, and automation of structure solution through molecular replacement. From 2007, I am group leader of the computational biology group at Daresbury, working on biomolecular simulation and other modelling of biological systems. In addition, I manage the Chemical Database Service at Daresbury.